N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine

C18H23N — CID 62315355

IUPACN-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
SMILESCc1cccc(CCNCC(C)c2ccccc2)c1
InChIInChI=1S/C18H23N/c1-15-7-6-8-17(13-15)11-12-19-14-16(2)18-9-4-3-5-10-18/h3-10,13,16,19H,11-12,14H2,1-2H3
InChIKeyHWZGLTNHHUIIDK-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine

N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine (PubChem CID 62315355) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
PubChem CID62315355
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
SMILESCc1cccc(CCNCC(C)c2ccccc2)c1
InChIInChI=1S/C18H23N/c1-15-7-6-8-17(13-15)11-12-19-14-16(2)18-9-4-3-5-10-18/h3-10,13,16,19H,11-12,14H2,1-2H3
InChIKeyHWZGLTNHHUIIDK-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine (CID 62315355) is N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine is Cc1cccc(CCNCC(C)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is HWZGLTNHHUIIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-15-7-6-8-17(13-15)11-12-19-14-16(2)18-9-4-3-5-10-18/h3-10,13,16,19H,11-12,14H2,1-2H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine?
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 62315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).